CID 11171982

2-amino-6-bromo-4-methoxyphenol

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
COC1=CC(=C(C(=C1)Br)O)N
InChI
InChI=1S/C7H8BrNO2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3
InChIKey
QOWCASMWCNULKH-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

216.97385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 135.9
[M+Na]+ 239.963068 148.2
[M-H]- 215.966574 141.1
[M+NH4]+ 235.007673 157.2
[M+K]+ 255.937008 137.0
[M+H-H2O]+ 199.971110 135.7
[M+HCOO]- 261.972051 157.6
[M+CH3COO]- 275.987701 184.8
[M+Na-2H]- 237.948516 142.5
[M]+ 216.97330142 153.7
[M]- 216.97439858 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe